SCHEMBL11269796

SCHEMBL11269796

CC(C)(C)c1ccc(-n2cnn(SC(Cl)(Cl)Cl)c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.36
PPARA Q07869 10/20 0.36
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
PPARG P37231 7/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11278370 0.87 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL11264984 0.85 KMT2A (0.39) PPARDPPARAPPARGKDM4ENPC1
SCHEMBL11267429 0.84 MAPT (0.41) PPARDPPARAPI4KAPI4K2BPI4K2A
SCHEMBL11270609 0.82 HCAR1 (0.36) PPARDPPARAPPARGMAPTGRM1
SCHEMBL11270269 0.82 SMN1; SMN2 (0.39) PPARDPPARAPPARGKDM4ENPC1
SCHEMBL11268398 0.82 ALDH1A1 (0.41) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL11279347 0.82 MAPT (0.47) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL11278669 0.82 ALDH1A1 (0.42) PPARDPPARAPPARGKDM4ENPC1
SCHEMBL11271902 0.77 ALDH1A1 (0.40) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL11269982 0.76 POLB (0.39) ALDH1A1MAPTHTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350701-A 1-(Trihalomethyl-sulfenyl)-4-aryl-1,2,4-triazolin-5-ones, and process for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed